SCHEMBL14228386

SCHEMBL14228386

Bc1cccc(CC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.58
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ RGS12 O14924 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ GNAI1 P63096 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
Water SCHEMBL27932850 0.98 AKR1B1 (0.56) AKR1B1CYP1A2CYP2C19LMNAGAA
SCHEMBL70565 0.84 AKR1B1 (0.71) AKR1B1CYP1A2CYP2C19LMNAGAA
Hydrochloric Acid SCHEMBL8922940 0.82 AKR1B1 (0.68) AKR1B1CYP1A2CYP2C19LMNAGAA
SCHEMBL13647128 0.82 ALDH1A1 (0.39) AKR1B1CYP1A2CYP2C19POLBALDH1A1
SCHEMBL13285692 0.82 CTBP2 (0.39) AKR1B1MAPTMEN1ALDH1A1KMT2A
SCHEMBL10283887 0.80 KEAP1 (0.61) —
SCHEMBL9113 0.79 AKR1B1 (0.58) AKR1B1CYP1A2CYP2C19LMNAGAA
SCHEMBL4402323 0.78 AKR1B1 (0.62) AKR1B1CYP1A2CYP2C19LMNAGAA
Hydrochloric Acid SCHEMBL2531929 0.78 AKR1B1 (0.56) AKR1B1CYP1A2CYP2C19
SCHEMBL10291819 0.77 SLC7A5 (0.55) LMNAGAATSHRKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566517-B Contact lens having a lubricious coating thereon 爱尔康公司 2023-11-10 — — CN claimed
CN-117270235-A Contact lens having a lubricious coating thereon 爱尔康公司 2023-12-22 — — CN disclosed
CN-111566517-B Contact lens having a lubricious coating thereon 爱尔康公司 2023-11-10 — — CN disclosed
EP-2651862-B1 SUBSTITUTED TETRAARYLBENZENES MERCK PATENT GMBH (DE) 2017-05-10 — — EP disclosed
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 — — WO disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 — — WO disclosed
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