SCHEMBL9836697

SCHEMBL9836697

CCC(C#N)(CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 3/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR3 O14843 1/20 0.32
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACLY P53396 2/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL9693068 0.86 ALDH1A1 (0.42) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL1341696 0.86 ALDH1A1 (0.37) TSHRALDH1A1MEN1CYP1A2THRB
SCHEMBL9011479 0.83 MCL1 (0.33) TSHRALDH1A1MEN1CYP1A2THRB
SCHEMBL2147379 0.78 ALDH1A1 (0.32) TSHRALDH1A1CTSSCTSK
SCHEMBL3542104 0.78 ALDH1A1 (0.32) TSHRALDH1A1MEN1CYP1A2THRB
SCHEMBL2637609 0.78 CYP2D6 (0.35) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL4543716 0.75 ALDH1A1 (0.35) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL8164857 0.75 GRM2 (0.32) TSHRALDH1A1CTSSCTSK
SCHEMBL4409964 0.75 CTSS (0.35) TSHRCYP2D6CYP2C19HIF1ACHRM1
SCHEMBL17499002 0.74

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
EP-0287265-B1 SILVER HALIDE COLOR PHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL KONICA CORPORATION (JP) 1991-10-16 EP disclosed
US-4916051-A CYAN COUPLER HAVING HYDROGEN-BONDABLE GROUP KONICA CORPORATION (JP) 1990-04-10 US disclosed
EP-0287265-A1 Silver halide color photographic light-sensitive material KONICA CORPORATION (JP) 1988-10-19 EP disclosed