SCHEMBL11731240

SCHEMBL11731240

O=C(O)CCCCCCNS(=O)(=O)CCCCC(O)COc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ TBXA2R P21731 2/20 0.43
▸ FABP4 P15090 2/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PTGER1 P34995 1/20 0.38
▸ PTGFR P43088 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ ADRB1 P08588 1/20 0.37
▸ GAA P10253 1/20 0.36

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
SCHEMBL11733725 0.92 TBXA2R (0.39) ALDH1A1TBXA2RFABP4KMT2AKDM4E
SCHEMBL11733330 0.88 CYP1A2 (0.47) ALDH1A1TBXA2RFABP4KMT2ALMNA
SCHEMBL11728716 0.88 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL11730097 0.86 TBXA2R (0.51) ALDH1A1TBXA2RFABP4KMT2ALMNA
SCHEMBL11729918 0.86 LMNA (0.44) ALDH1A1TBXA2RFABP4KMT2ALMNA
SCHEMBL11729975 0.81 RAB9A (0.44) ALDH1A1TBXA2RFABP4LMNAL3MBTL1
SCHEMBL11732372 0.81 FAAH (0.36) —
SCHEMBL11729890 0.81 ALDH1A1 (0.45) ALDH1A1TBXA2RLMNATHRBL3MBTL1
SCHEMBL11725291 0.80 TBXAS1 (0.43) ALDH1A1TBXA2RKMT2AL3MBTL1PTGER1
Water SCHEMBL11728791 0.80 ALDH1A1 (0.44) ALDH1A1TBXA2RLMNATHRBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3991106-A FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY MERCK & CO., INC. (US) 1976-11-09 — — US claimed
US-4055596-A PHARMACEUTICALS MERCK & CO., INC. (US) 1977-10-25 — — US disclosed
US-3991106-A FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY MERCK & CO., INC. (US) 1976-11-09 — — US disclosed
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