SCHEMBL9787397

SCHEMBL9787397

CCCCCC(=O)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.72
HDAC3 O15379 1/20 0.67
HDAC4 P56524 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67
HPGD P15428 2/20 0.63
ALDH1A1 P00352 1/20 0.63
FAAH O00519 2/20 0.62
TRPV1 Q8NER1 1/20 0.61
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10741431 0.98 EPHX2 (0.75) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL21998923 0.98 EPHX2 (0.75) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9787410 0.98 EPHX2 (0.75) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9787431 0.98 EPHX2 (0.75) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9787358 0.98 EPHX2 (0.75) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9787405 0.98 EPHX2 (0.75) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9787468 0.97 EPHX2 (0.73) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9787297 0.89 CYP3A4 (0.64) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3809498 0.89 EPHX2 (0.84) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL27760616 0.86 EPHX2 (0.58) EPHX2HDAC3HDAC4HDAC1HDAC7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4689182-A Benzoic acid and benzoic acid ester derivatives having anti-inflammatory and analgesic activity WARNER-LAMBERT COMPANY (US) 1987-08-25 US claimed
CN-86108626-A Phenylformic acid and benzoate derivatives with anti-inflammatory and pain palliation efficacy 1987-07-22 CN claimed
EP-0226223-A2 Benzoic acid and benzoic acid ester derivatives having anti-inflammatory and analgesic activity WARNER-LAMBERT COMPANY (US) 1987-06-24 EP claimed
US-5002703-A Benzoic acid and benzoic acid ester derivatives having antiinflammatory and analgesic activity WARNER-LAMBERT COMPANY (US) 1991-03-26 US disclosed
US-4990533-A Benzoic acid and benzoic acid ester derivatives having anti-inflammatory and analgesic activity WARNER-LAMBERT CO. (US) 1991-02-05 US disclosed
US-4980095-A Sodium salt of N-C4-carboxybenzyl nonanamide WARNER-LAMBERT COMPANY (US) 1990-12-25 US disclosed
US-4771064-A Benzoic acid and benzoic acid ester derivatives having antiflammatory and analgesic activity WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
US-4755518-A Imidazolyl or tetrazolyl substituted benzoic acid derivatives and pharmaceutical compositions thereof WARNER-LAMBERT COMPANY (US) 1988-07-05 US disclosed
US-4719232-A Benzoic acid and benzoic acid ester derivatives to treat headaches WARNER-LAMBERT COMPANY (US) 1988-01-12 US disclosed
US-4719234-A Benzoic acid and benzoic acid ester derivatives to treat inflammation WARNER-LAMBERT COMPANY (US) 1988-01-12 US disclosed
US-4719233-A Benzoic acid and benzoic acid ester derivatives to treat pain WARNER-LAMBERT COMPANY (US) 1988-01-12 US disclosed
US-4689182-A Benzoic acid and benzoic acid ester derivatives having anti-inflammatory and analgesic activity WARNER-LAMBERT COMPANY (US) 1987-08-25 US disclosed
CN-86108626-A Phenylformic acid and benzoate derivatives with anti-inflammatory and pain palliation efficacy 1987-07-22 CN disclosed
EP-0226223-A2 Benzoic acid and benzoic acid ester derivatives having anti-inflammatory and analgesic activity WARNER-LAMBERT COMPANY (US) 1987-06-24 EP disclosed