SCHEMBL23240722

SCHEMBL23240722

C=Cc1cccc(Cn2c3c(c4ccccc42)C=C[C@H](C)C=C3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ FOLH1 Q04609 4/20 0.32
▸ P2RX4 Q99571 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL12319406 0.78 CYP19A1 (0.58) PSMD14LMNACYP19A1KMT2AMAPK1
SCHEMBL1224850 0.73 P2RX4 (0.62) PSMD14LMNACYP19A1KMT2AMAPK1
SCHEMBL18500033 0.69 BCHE (0.44) PSMD14LMNACYP19A1SMN1; SMN2MAPT
SCHEMBL19393423 0.67 P2RX4 (0.40) PSMD14LMNAFAAHMAPTP2RX4
SCHEMBL23505087 0.66 GPR3 (0.45) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL21022469 0.65 GPR3 (0.31) —
SCHEMBL25841829 0.65 CYP19A1 (0.64) PSMD14LMNACYP19A1KMT2AMAPK1
SCHEMBL18500036 0.65 P2RX4 (0.49) PSMD14LMNASMN1; SMN2MAPTP2RX4
SCHEMBL28900325 0.64 CYP19A1 (0.58) LMNACYP19A1KMT2AMAPK1SMN1; SMN2
SCHEMBL19088936 0.63 FAAH (0.41) FAAHMAPTTP53

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
WO-2021070878-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT HAVING ORGANIC LAYER COMPRISING HIGH MOLECULAR WEIGHT COMPOUND 保土谷化学工業株式会社 2021-04-15 — — WO disclosed
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