SCHEMBL8676604

SCHEMBL8676604

O=C(Cc1ccccc1Cl)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.55
KCNJ5 P48544 4/20 0.53
KCNJ3 P48549 4/20 0.53
CTBP2 P56545 1/20 0.50
PKM P14618 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SHBG P04278 1/20 0.43
APAF1 O14727 1/20 0.43
TDP2 O95551 1/20 0.43
NSD2 O96028 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL8446184 0.81 ALDH1A1 (0.50) KCNJ5KCNJ3CTBP2PKMNPC1
Trifluoroacetic Acid SCHEMBL5658062 0.79 PKM (0.51) KCNJ5KCNJ3CTBP2PKMNPC1
SCHEMBL13061955 0.78 CTBP2 (0.47) KCNJ5KCNJ3CTBP2PKMNPC1
SCHEMBL14755023 0.78 KCNJ5 (0.47) KCNJ5KCNJ3CTBP2PKMNPC1
SCHEMBL6194349 0.77 CTBP2 (0.58) KCNJ5KCNJ3CTBP2PKMNPC1
SCHEMBL31365969 0.77 CTBP2 (0.58) KCNJ5KCNJ3CTBP2PKMNPC1
SCHEMBL27732144 0.77 CES1 (0.55) CES1KCNJ5KCNJ3HDAC1HDAC6
SCHEMBL28269575 0.77 CES1 (0.55) CES1NPC1RAB9AALDH1A1KMT2A
SCHEMBL28757860 0.77 CES1 (0.55) CES1CTBP2NPC1SHBGALDH1A1
SCHEMBL6960850 0.75 CTBP2 (0.56) KCNJ5KCNJ3CTBP2PKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542411-B1 TETRAHYDROTHIENOPYRIDINE DERIVATIVES, FURO AND PYRROLO ANALOGS THEREOF AND THEIR PREPARATION AND USES FOR INHIBITING BLOOD PLATELET AGGREGATION SANKYO CO (JP) 1998-08-12 EP disclosed
US-5436242-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof for inhibiting blood platelet aggregation SANKYO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
US-5288726-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation UBE INDUSTRIES LIMITED (JP) 1994-02-22 US disclosed
EP-0542411-A2 Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation Sankyo Company Limited (JP) 1993-05-19 EP disclosed