SCHEMBL28855327

SCHEMBL28855327

Bc1cccc(C(=O)N2CCC(C)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.67
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ HPGD P15428 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ TP53 P04637 3/20 0.60
▸ TSHR P16473 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ L3MBTL3 Q96JM7 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ GRM5 P41594 1/20 0.52
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MGLL Q99685 1/20 0.48

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
SCHEMBL10724144 0.89 ACHE (0.77) ACHENPC1RAB9AHPGDALDH1A1
SCHEMBL8054515 0.83 HPGD (0.69) ACHENPC1RAB9AHPGDALDH1A1
SCHEMBL13504099 0.82 SMN1; SMN2 (0.68) ACHENPC1RAB9AHPGDALDH1A1
SCHEMBL9500165 0.82 ACHE (0.67) ACHENPC1RAB9AHPGDALDH1A1
SCHEMBL5047494 0.82 ACHE (0.67) ACHENPC1RAB9AHPGDALDH1A1
SCHEMBL23440304 0.82 ALDH1A1 (0.73) ACHENPC1RAB9AHPGDALDH1A1
SCHEMBL13504041 0.81 HPGD (0.70) ACHENPC1RAB9AHPGDALDH1A1
SCHEMBL19928474 0.81 HPGD (0.66) NPC1RAB9AHPGDALDH1A1TP53
SCHEMBL19928508 0.81 HPGD (0.66) NPC1RAB9AHPGDALDH1A1TP53
SCHEMBL23440265 0.81 ACHE (0.74) ACHENPC1RAB9AHPGDALDH1A1

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
CN-107835680-A The novel beta hydroxysteroid dehydrogenase of 1 type of selectivity 11 帝斯曼知识产权资产管理有限公司 2018-03-23 — — CN disclosed
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