SCHEMBL16704676

SCHEMBL16704676

C=C(C)[C@@H]1CC[C@]2(C(=O)NCc3ccccc3)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)C12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F3 P13726 1/20 0.73
▸ CES2 O00748 1/20 0.73
▸ CES1 P23141 1/20 0.73
▸ TRPV1 Q8NER1 1/20 0.65
▸ RORC P51449 9/20 0.64
▸ EGLN2 Q96KS0 1/20 0.60
▸ EGLN1 Q9GZT9 1/20 0.60
▸ EGLN3 Q9H6Z9 1/20 0.60
▸ P4HTM Q9NXG6 1/20 0.60
▸ PTPN1 P18031 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ AKR1B10 O60218 1/20 0.59
▸ ALB P02768 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ GLI1 P08151 1/20 0.59
▸ AKR1B1 P15121 1/20 0.59
▸ NT5E P21589 1/20 0.59
▸ DPP4 P27487 1/20 0.59

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
SCHEMBL16704985 0.93 F3 (0.62) F3CES2CES1TRPV1RORC
SCHEMBL4213368 0.92 TRPV1 (0.76) TRPV1RORCEGLN2EGLN1EGLN3
SCHEMBL15450746 0.91 TRPV1 (0.64) F3CES2CES1TRPV1RORC
SCHEMBL15450687 0.90 TRPV1 (0.59) F3CES2CES1TRPV1RORC
SCHEMBL16704668 0.89 TRPV1 (0.59) F3CES2CES1TRPV1RORC
SCHEMBL16705023 0.87 F3 (0.72) F3CES2CES1RORCPTPN1
SCHEMBL12134013 0.87 F3 (0.72) F3CES2CES1RORCPTPN1
SCHEMBL16704682 0.87 F3 (0.72) F3CES2CES1RORCPTPN1
SCHEMBL16704695 0.87 F3 (0.72) F3CES2CES1RORCPTPN1
SCHEMBL16704995 0.86 F3 (0.79) F3CES2CES1RORCEGLN2

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-9029414-B2 Triterpenoid compounds and methods of use thereof BIOTECHNOLOGY RESEARCH CORPORATION (HK) 2015-05-12 — — US disclosed
US-9029414-B2 Triterpenoid compounds and methods of use thereof BIOTECHNOLOGY RESEARCH CORPORATION (HK) 2015-05-12 — — US disclosed
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