SCHEMBL29033698

SCHEMBL29033698

CC(C)(C)P(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
OPRK1 P41145 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 5/20 0.37
P2RX7 Q99572 3/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD11B1 P28845 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
TRPV6 Q9H1D0 1/20 0.33

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
SCHEMBL2828857 0.85 P2RX7 (0.35) OPRK1EPHX2P2RX7MEN1KMT2A
SCHEMBL1735054 0.80 P2RX7 (0.32) OPRK1EPHX2P2RX7MEN1KMT2A
SCHEMBL15659951 0.78 ALDH1A1 (0.42) ALDH1A1OPRK1TSHRHPGDEPHX2
SCHEMBL289717 0.78 OPRK1 (0.42) ALDH1A1OPRK1TSHRHPGDEPHX2
SCHEMBL20970143 0.77 LMNA (0.33) ALDH1A1EPHX2P2RX7MAPK1SMN1; SMN2
SCHEMBL5738047 0.76 OPRK1 (0.41) ALDH1A1OPRK1TSHRHPGDEPHX2
Bromide SCHEMBL1478373 0.76 OPRK1 (0.41) ALDH1A1OPRK1TSHRHPGDEPHX2
SCHEMBL12545355 0.76 MEN1 (0.34) ALDH1A1OPRK1MEN1KMT2A
SCHEMBL20970146 0.76 SIGMAR1 (0.32) OPRK1MEN1KMT2A
SCHEMBL17883720 0.74 CNR2 (0.36) ALDH1A1

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
CN-116444563-A Novel method for synthesizing triphosphine ligand 广东欧凯新材料有限公司 2023-07-18 CN disclosed