SCHEMBL11234754

SCHEMBL11234754

F[C@H]([C]=S)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.41
DPP4 P27487 2/20 0.38
TSHR P16473 2/20 0.38
F2 P00734 1/20 0.38
TRPA1 O75762 1/20 0.36
HTR2A P28223 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP2D6 P10635 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL11317567 1.00 MIF (0.41) MIFDPP4TSHRF2TRPA1
SCHEMBL27609874 0.74 TSHR (0.38) MIFDPP4TSHRF2TRPA1
SCHEMBL10159567 0.74 TSHR (0.52) DPP4TSHRF2TRPA1
SCHEMBL874357 0.74 CYP2D6 (0.39) DPP4TSHRF2TRPA1CYP2D6
SCHEMBL1323137 0.74 TSHR (0.52) DPP4TSHRF2TRPA1
SCHEMBL20656718 0.72 MIF (0.44) MIFDPP4TSHRF2TRPA1
Ammonia Solution, Strong SCHEMBL28307652 0.72 TSHR (0.50) DPP4TSHRF2TRPA1
SCHEMBL21795564 0.72 DPP4 (0.36) MIFDPP4TSHRF2TRPA1
SCHEMBL10402076 0.70 TSHR (0.61) MIFTSHRCYP2D6SRC
SCHEMBL4194140 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4351766-A Production of penicillins BRISTOL-MYERS COMPANY (US) 1982-09-28 US disclosed
US-4316016-A TRIMETHYLSILYL DERIVATIVES BRISTOL-MYERS COMPANY (US) 1982-02-16 US disclosed
US-4316017-A TRIMETHYLSILYL DERIVATIVES BRISTOL-MYERS COMPANY (US) 1982-02-16 US disclosed
US-4310458-A PRODUCTION OF AMOXYCILLIN AND AMPICILLIN BRISTOL-MYERS COMPANY (US) 1982-01-12 US disclosed
US-4297489-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1981-10-27 US disclosed
US-4278600-A CARBONATION, ACID ACCEPTORS, SILATION BRISTOL-MYERS COMPANY (US) 1981-07-14 US disclosed
US-4240960-A INTERMEDIATE BRISTOL-MYERS COMPANY (US) 1980-12-23 US disclosed
US-4223135-A CARBONYLATION, ACYLATION BRISTOL-MYERS COMPANY (US) 1980-09-16 US disclosed
US-4193917-A LACTAM COMPOUND USED AS INTERMEDIATE GLAXO LABORATORIES, LIMITED (GB) 1980-03-18 US disclosed
US-4174318-A USING A TRIALKYL- OR TRIALKYLAMINOPHOSPHINE AS REDUCING AGENT GLAXO LABORATORIES LTD. (GB) 1979-11-13 US disclosed
US-4113591-A BROMINATION IN PRESENCE OF ULTRAVIOLET RADIATION, VISIBLE LIGHT, OR GAMMA RAYS GLAXO LABORATORIES LIMITED (GB) 1978-09-12 US disclosed
US-4110534-A PROCESS FOR THE PREPARATION OF 3-VINYL AND SUBSTITUTED VINYL CEPHALOSPORINS GLAXO LABORATORIES LIMITED (GB) 1978-08-29 US disclosed
US-4107431-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (GB) 1978-08-15 US disclosed
US-4014872-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (EN) 1977-03-29 US disclosed