SCHEMBL9787232

SCHEMBL9787232

CCCCCCCCC(=O)NC(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.56
ALDH1A1 P00352 1/20 0.56
ACER2 Q5QJU3 1/20 0.56
MEN1 O00255 1/20 0.53
FAAH O00519 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
CNR2 P34972 3/20 0.51
NR1H4 Q96RI1 1/20 0.49
CERT1 Q9Y5P4 3/20 0.48
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL4183115 0.87 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2MEN1FAAH
SCHEMBL16714723 0.87 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2MEN1FAAH
SCHEMBL12215278 0.87 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2MEN1FAAH
SCHEMBL4139311 0.87 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2MEN1FAAH
SCHEMBL4139305 0.87 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2MEN1FAAH
SCHEMBL9472620 0.87 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2MEN1FAAH
SCHEMBL5599045 0.87 ALDH1A1 (0.72) ASAH1ALDH1A1ACER2MEN1FAAH
SCHEMBL16714801 0.85 ALDH1A1 (0.58) ASAH1ALDH1A1ACER2MEN1FAAH
SCHEMBL27959247 0.82 KMT2A (0.51) ASAH1ALDH1A1ACER2MEN1FAAH
SCHEMBL22060063 0.82 NR1H4 (0.56) ALDH1A1MEN1KMT2ANR1H4MAPT

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 12 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
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
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