SCHEMBL27548935

SCHEMBL27548935

O=CC1CCSc2ccc(O)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ DRD2 P14416 4/20 0.32
▸ DRD3 P35462 4/20 0.32
▸ DRD4 P21917 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL27703132 0.81 BACE1 (0.35) MEN1KMT2ANPC1
SCHEMBL27267001 0.81 KMT2A (0.35) MEN1KMT2APOLB
SCHEMBL27265076 0.77 PNMT (0.39) MEN1KMT2A
SCHEMBL27259036 0.76 USP2 (0.45) MEN1KMT2APOLBNPC1
SCHEMBL27265499 0.76 KMT2A (0.44) MEN1KMT2APOLBNPC1
SCHEMBL28140790 0.75 ESR1 (0.49) CYP19A1CYP11B1ESR1ESR2DRD2
SCHEMBL27268335 0.73 — —
SCHEMBL27523226 0.72 ESR1 (0.43) CYP19A1CYP11B1ESR1ESR2MAOA
SCHEMBL27769841 0.72 CYP19A1 (0.30) CYP19A1MAOAMAOBDYRK1A
SCHEMBL28141495 0.68 ESR2 (0.49) CYP19A1ESR1ESR2DRD2DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710438-A Spirocyclic compound for promoting generation of iPS cells, and preparation method and use thereof SHANGHAI INST MATERIA MEDICA 2015-06-17 — — CN disclosed
CN-1166638-C Novel benzo-[3,4] cyclobutano [1,2-C] pyrroles compound, its prepn. and medicine composition containing the same ɪά��ʵ���� 2004-09-15 — — CN disclosed
CN-1274718-A Novel benzo-[3,4] cyclobutano [1,2-C] pyrroles compound, its prepn. and medicine composition containing the same ADIR (FR) 2000-11-29 — — CN disclosed
Send feedback