SCHEMBL31218928

SCHEMBL31218928

CCOP(=O)(/C=C/c1ccc(Cn2c3ccc(OC)cc3c3cc(OC)ccc32)cc1)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.49
▸ KMT2A Q03164 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ P2RX4 Q99571 1/20 0.43
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ PMP22 Q01453 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RGS12 O14924 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ GNAI1 P63096 1/20 0.41
▸ HIF1A Q16665 1/20 0.41

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
SCHEMBL8657360 0.79 GSK3B (0.47) TSHRLMNACYP1A2CYP3A4ALDH1A1
SCHEMBL8657364 0.79 GSK3B (0.47) TSHRLMNACYP1A2CYP3A4ALDH1A1
SCHEMBL31219010 0.78 P2RX4 (0.45) PTGER4KMT2AMAPTSMN1; SMN2P2RX4
SCHEMBL31219056 0.77 P2RX4 (0.51) PTGER4KMT2AMAPTP2RX4TSHR
SCHEMBL31219199 0.76 TP53 (0.54) PTGER4KMT2AMAPTSMN1; SMN2P2RX4
SCHEMBL31218932 0.73 TSHR (0.50) KMT2AMAPTP2RX4TSHRMAPK1
SCHEMBL31218975 0.72 TSHR (0.48) KMT2AMAPTP2RX4TSHRMAPK1
SCHEMBL31218963 0.71 PTGS2 (0.64) KMT2AMAPTP2RX4TSHRMAPK1
SCHEMBL31219083 0.71 KMT2A (0.53) PTGER4KMT2AMAPTSMN1; SMN2P2RX4
SCHEMBL23668360 0.70 PTGER4 (0.49) PTGER4KMT2AMAPTTSHRMEN1

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-2024199444-A1 HETEROAROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翊维康医药有限责任公司 2024-10-03 — — WO disclosed
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