SCHEMBL11034812

SCHEMBL11034812

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3cccc(C)c3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
PPARG P37231 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
PKM P14618 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL11034811 1.00 ALDH1A1 (0.45) ALDH1A1MEN1PPARGKMT2ASMN1; SMN2
SCHEMBL11034815 1.00 ALDH1A1 (0.45) ALDH1A1MEN1PPARGKMT2ASMN1; SMN2
SCHEMBL29550836 0.92 ALDH1A1 (0.43) ALDH1A1MEN1PPARGKMT2ASMN1; SMN2
SCHEMBL11261292 0.87 POLB (0.43) KMT2ASMN1; SMN2POLBL3MBTL1ATM
SCHEMBL14268569 0.86 ELANE (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL11406065 0.85 KMT2A (0.47) ALDH1A1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL27947134 0.84 LMNA (0.61) ALDH1A1MEN1PPARGKMT2ASMN1; SMN2
SCHEMBL4544899 0.84 LMNA (0.61) ALDH1A1MEN1PPARGKMT2ASMN1; SMN2
SCHEMBL22631942 0.84 POLB (0.53) ALDH1A1KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL11035516 0.84 MGLL (0.45) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59161333-A None JP disclosed
JP-S59161333-A ESTER DERIVATIVE OF META-SUBSTITUTED PHENOL CHISSO CORP 1984-09-12 JP disclosed