SCHEMBL30219232

SCHEMBL30219232

OCCSc1ccc2cc(C3(c4ccc5cc(SCCO)ccc5c4)c4ccccc4Sc4ccccc43)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.32
ANPEP P15144 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL25012958 1.00 BACE1 (0.32) BACE1ANPEPCA12CA1CA2
SCHEMBL30219260 0.85 ESR1 (0.43) BACE1ANPEPCA12CA1CA2
SCHEMBL28925160 0.85 ESR1 (0.43) BACE1ANPEPCA12CA1CA2
SCHEMBL25012960 0.84 NR1I2 (0.34) CNR2
SCHEMBL23992345 0.76 CYP1A2 (0.46)
SCHEMBL30185390 0.74 BACE1 (0.34) BACE1
SCHEMBL28995350 0.74 BACE1 (0.34) BACE1
SCHEMBL30568938 0.73 ALDH1A1 (0.49)
SCHEMBL38658329 0.73 ANPEP (0.51) BACE1ANPEPCA12CA1CA2
SCHEMBL3894693 0.73 ANPEP (0.51) BACE1ANPEPCA12CA1CA2

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-20240301135-A1 POLYCARBONATE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF INSTITUTE OF PROCESS ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2024-09-12 US disclosed
CN-113480722-B Polycarbonate and preparation method and application thereof 中国科学院过程工程研究所 2022-11-22 CN disclosed