SCHEMBL11407641

SCHEMBL11407641

CCc1ccc(C(=O)Oc2ccc(C3CCC(CC(C)CC)CC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
IDO1 P14902 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
ACACB O00763 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
DGAT1 O75907 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RECQL P46063 1/20 0.35
LSS P48449 1/20 0.35
F2 P00734 1/20 0.34

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
SCHEMBL11416506 1.00 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11406454 0.92 MAPT (0.41) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11411644 0.92 MAPT (0.41) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11403411 0.91 MAPT (0.48) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11409703 0.91 PRSS1 (0.41) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11416378 0.91 PRSS1 (0.41) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11403234 0.91 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11408180 0.91 SPHK1 (0.41) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11416207 0.91 SPHK1 (0.41) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11411675 0.90 ESR1 (0.44) CYP2C9MAPTALDH1A1LMNASMN1; SMN2

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-4229315-A FOR DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 US disclosed