SCHEMBL11534255

SCHEMBL11534255

CCCC=P(c1ccccc1)(c1ccccc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 3/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SRD5A2 P31213 1/20 0.41
TAS2R14 Q9NYV8 2/20 0.40
TP53 P04637 2/20 0.40
RARB P10826 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL808497 0.84 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRTP53
SCHEMBL17064719 0.74 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TSHRCES2
SCHEMBL14454720 0.74 CA1 (0.47) KMT2AALDH1A1TSHRDAONAPRT
SCHEMBL4139139 0.73 NPSR1 (0.44) ALDH1A1TSHRSMN1; SMN2
SCHEMBL4821584 0.72 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRTP53
Terephthalic Acid SCHEMBL28348573 0.72 ALDH1A1 (0.54) MEN1KMT2AALDH1A1TSHRSRD5A2
SCHEMBL7523648 0.72 GAA (0.45) MEN1KMT2AALDH1A1TSHRPKM
SCHEMBL20677772 0.72 HSP90AA1 (0.58) ALDH1A1TSHRDAONAPRTCES2
Benzoic Acid SCHEMBL2762272 0.71 TSHR (0.74) MEN1KMT2AALDH1A1TSHRDAO
Benzoic Acid SCHEMBL578126 0.71 TSHR (0.74) MEN1KMT2AALDH1A1TSHRDAO

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4140712-A 20-Hydroxy-prostaglandins ONO PHARMACEUTICAL COMPANY (JP) 1979-02-20 US disclosed
US-4117119-A 15-CYCLOBUTYL-PROSTAGLANDINS ONO PHARMACEUTICAL COMPANY (JP) 1978-09-26 US disclosed
US-4045468-A GASTRIC ULCERS ONO PHARMACEUTICAL COMPANY (JA) 1977-08-30 US disclosed
US-4024174-A MEDICINE ONO PHARMACEUTICAL COMPANY (JA) 1977-05-17 US disclosed
US-3966792-A Prostaglandin compounds ONO PHARMACEUTICAL CO., LTD. (JA) 1976-06-29 US disclosed