SCHEMBL8686345

SCHEMBL8686345

COc1ccc2[nH]c(C)c(C(C(=O)OC(=O)c3ccc(Cl)cc3)C(C)(C)C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.50
▸ PDGFRB P09619 2/20 0.42
▸ FGFR1 P11362 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ MTNR1A P48039 3/20 0.40
▸ MTNR1B P49286 3/20 0.40
▸ VDR P11473 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ EIF2AK2 P19525 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL11832981 0.84 TRPV1 (0.51) TRPV1PDGFRBFGFR1KDRAKR1C2
SCHEMBL10524712 0.81 TRPV1 (0.42) TRPV1ALDH1A1KDM4EHPGDKMT2A
SCHEMBL10880872 0.80 TRPV1 (0.41) TRPV1ALDH1A1KDM4EHPGDKMT2A
SCHEMBL11189245 0.79 TRPV1 (0.45) TRPV1AKR1C2ALDH1A1MAPTRAB9A
SCHEMBL8122137 0.79 TRPV1 (0.45) TRPV1AKR1C2ALDH1A1MAPTRAB9A
SCHEMBL8796396 0.78 TRPV1 (0.46) TRPV1PDGFRBFGFR1KDRAKR1C2
SCHEMBL11557313 0.78 TRPV1 (0.45) TRPV1AKR1C2ALDH1A1MAPTRAB9A
SCHEMBL8031503 0.76 TRPV1 (0.43) TRPV1AKR1C2ALDH1A1MAPTRAB9A
SCHEMBL4562595 0.76 AKR1C2 (0.48) TRPV1PDGFRBFGFR1KDRAKR1C2
SCHEMBL9359811 0.75 AKR1C2 (0.62) AKR1C2MAPTRAB9AKDM4EKMT2A

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-5776962-A Lactone compounds for treating patient with precancerous lesions CELL PATHWAYS, INC. (US) 1998-07-07 — — US disclosed
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