SCHEMBL6466101

SCHEMBL6466101

CCCCc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(CCCC)cc2C)c2ccccc2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SKP2 Q13309 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 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
SCHEMBL16904725 0.92 POLB (0.38) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17857948 0.87 LMNA (0.39) HPGDSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL21577455 0.84 CETP (0.42) ALDH1A1CETPRARB
SCHEMBL19561400 0.82 FOLH1 (0.39) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL15158 0.82 LMNA (0.40) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL16976434 0.82 MEN1 (0.37) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL16904721 0.81 CES2 (0.37) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL27635577 0.81 CES2 (0.37) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL14995724 0.81 ITGB1 (0.36) HPGDSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL16904723 0.81 LMNA (0.36) ALDH1A1HPGDNPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050096406-A1 Reactive diluents and alkyd resin coating compositions PRETOT ROGER (CH) 2005-05-05 US disclosed
US-5534559-A UNSATURATED POLYESTERS CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed