SCHEMBL9817499

SCHEMBL9817499

CCC1(c2ccccc2)OC1(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.40
HCAR2 Q8TDS4 2/20 0.40
CYP1A2 P05177 2/20 0.36
AKR1C1 Q04828 1/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
MITF O75030 2/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GAA P10253 1/20 0.33
OPRM1 P35372 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
SCHEMBL20696143 0.86 L3MBTL1 (0.38) KMT2AMEN1TDP1LMNAGAA
SCHEMBL9692795 0.83 KMT2A (0.46) HCAR3HCAR2TSHRKMT2AMEN1
SCHEMBL27320951 0.73 HCAR3 (0.40) HCAR3HCAR2CYP1A2AKR1C1TSHR
SCHEMBL320551 0.73 HCAR3 (0.41) HCAR3HCAR2CYP1A2AKR1C1TSHR
SCHEMBL10889346 0.72 TSHR (0.36) HCAR3HCAR2CYP1A2TSHRKMT2A
SCHEMBL4600241 0.71 HCAR3 (0.40) HCAR3HCAR2CYP1A2AKR1C1TSHR
SCHEMBL10795202 0.71 HCAR3 (0.40) HCAR3HCAR2CYP1A2AKR1C1TSHR
SCHEMBL320552 0.71 HCAR3 (0.40) HCAR3HCAR2CYP1A2AKR1C1TSHR
SCHEMBL19809196 0.71 TSHR (0.35) HCAR3HCAR2CYP1A2TSHRKMT2A
SCHEMBL9692240 0.70 MEN1 (0.43) HCAR3HCAR2TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0247946-B1 PROCESS FOR NEUTRALIZING UNPLEASANT ODOURS OF ANIMAL EXCRETA ROBERTET S.A. (FR) 1991-12-11 EP claimed