SCHEMBL31619331

SCHEMBL31619331

O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CO

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.79
▸ ABCB1 P08183 18/20 0.73
▸ TSHR P16473 2/20 0.70
▸ LMNA P02545 2/20 0.67
▸ CYP1A2 P05177 2/20 0.67
▸ CYP2D6 P10635 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ KCNK3 O14649 1/20 0.67
▸ SLC22A1 O15245 1/20 0.67
▸ ABCC9 O60706 1/20 0.67
▸ KCNK2 O95069 1/20 0.67
▸ ABCB11 O95342 1/20 0.67
▸ ADRB2 P07550 1/20 0.67
▸ ADRB1 P08588 1/20 0.67
▸ ADRB3 P13945 1/20 0.67
▸ ADRA2C P18825 1/20 0.67
▸ SLC6A2 P23975 1/20 0.67
▸ HTR2A P28223 1/20 0.67
▸ HTR2C P28335 1/20 0.67

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
SCHEMBL31619332 0.93 KCNH2 (0.85) KCNH2ABCB1TSHRLMNACYP1A2
N-Depropyl-Propaphenone SCHEMBL31619339 0.88 KCNH2 (1.00) KCNH2ABCB1TSHRLMNACYP1A2
N-Depropyl-Propaphenone SCHEMBL15750362 0.88 KCNH2 (1.00) KCNH2ABCB1TSHRLMNACYP1A2
SCHEMBL5595482 0.85 KCNH2 (0.72) KCNH2ABCB1TSHRLMNACYP1A2
SCHEMBL15750367 0.85 ABCB1 (0.77) KCNH2ABCB1TSHRLMNACYP1A2
SCHEMBL29439280 0.84 ABCB1 (1.00) KCNH2ABCB1TSHRLMNACYP1A2
SCHEMBL1331282 0.83 ABCB1 (1.00) KCNH2ABCB1TSHRLMNACYP1A2
SCHEMBL11631740 0.83 CYP1A2 (0.57) KCNH2ABCB1TSHRLMNACYP1A2
SCHEMBL1331632 0.82 MEN1 (0.98) KCNH2ABCB1TSHRLMNACYP1A2
SCHEMBL7050989 0.81 CYP1A2 (0.58) KCNH2ABCB1LMNACYP1A2MEN1

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
CN-120142496-A Method for detecting impurities in propafenone hydrochloride injection 华夏生生药业(北京)有限公司 2025-06-13 — — CN claimed
CN-120142496-A Method for detecting impurities in propafenone hydrochloride injection 华夏生生药业(北京)有限公司 2025-06-13 — — CN disclosed
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