SCHEMBL11577238

SCHEMBL11577238

NC1(CC(=O)O)CCSCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
CACNA2D1 P54289 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRB2 P47870 1/20 0.32
GRM1 Q13255 1/20 0.31
NSD2 O96028 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
SCHEMBL4115624 0.83
SCHEMBL15774956 0.82
Hydrochloric Acid SCHEMBL16666607 0.80
SCHEMBL289131 0.78 CYP1A2 (0.52) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL430341 0.78
SCHEMBL20198601 0.76 TSHR (0.56) USP2ALDH1A1LMNACYP1A2TSHR
Hydrochloric Acid SCHEMBL3705397 0.76 CYP1A2 (0.50) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL498155 0.76 TSHR (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL20104809 0.76 TSHR (0.56) USP2ALDH1A1LMNACYP1A2TSHR
Hydrochloric Acid SCHEMBL7609840 0.74 TSHR (0.54) USP2ALDH1A1LMNACYP1A2TSHR

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
US-4127570-A BACTERICIDE BEECHAM GROUP LIMITED (GB) 1978-11-28 US disclosed