SCHEMBL11234964

SCHEMBL11234964

CC(=O)Oc1ccc(C(C)CCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
ESR1 P03372 3/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 2/20 0.45
HIF1A Q16665 2/20 0.45
SLC6A3 Q01959 2/20 0.45
ABCB11 O95342 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2C9 P11712 1/20 0.45
PDE4A P27815 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRK1 P41145 1/20 0.45
STAT6 P42226 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
ELANE P08246 3/20 0.44
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL111718 0.84 TSHR (0.60) LMNAMAPTPOLBPKMESR1
SCHEMBL30943786 0.82 LMNA (0.50) LMNAMAPTPOLBPKMESR1
SCHEMBL24171452 0.81 LMNA (0.48) LMNAMAPTPOLBPKMESR1
SCHEMBL13784555 0.81 LMNA (0.48) LMNAMAPTPOLBPKMESR1
SCHEMBL19968620 0.81 ESR1 (0.55) LMNAMAPTPOLBPKMESR1
SCHEMBL8476326 0.81 FFAR1 (0.53) LMNAMAPTPOLBPKMESR1
SCHEMBL6931924 0.80 LMNA (0.44) LMNAMAPTPOLBPKMESR1
SCHEMBL13799154 0.79 TAAR1 (0.49) LMNAMAPTPOLBPKMESR1
SCHEMBL23502928 0.79 LMNA (0.47) LMNAMAPTPOLBPKMESR1
SCHEMBL1714626 0.79 LMNA (0.59) LMNAMAPTPOLBPKMESR1

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-4328361-A Novel process THE UPJOHN COMPANY (US) 1982-05-04 US disclosed