SCHEMBL29700141

SCHEMBL29700141

Cc1ccc(-c2cccc(C(=O)N3CCCCCC3)c2)cc1C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.64
HPGD P15428 10/20 0.64
ERN1 O75460 2/20 0.61
TSHR P16473 1/20 0.57
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 2/20 0.55
PLA2G7 Q13093 1/20 0.55
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
CNR2 P34972 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL18397586 1.00 POLB (0.64) POLBHPGDERN1TSHRMEN1
SCHEMBL18397589 0.88 POLB (0.60) POLBHPGDERN1TSHRMEN1
SCHEMBL29699889 0.88 POLB (0.60) POLBHPGDERN1TSHRMEN1
SCHEMBL18397576 0.87 HPGD (0.70) POLBHPGDERN1MEN1ALDH1A1
SCHEMBL23440313 0.83 HPGD (0.71) POLBHPGDERN1MEN1ALDH1A1
SCHEMBL18397598 0.83 HPGD (0.71) POLBHPGDERN1MEN1ALDH1A1
SCHEMBL29699833 0.83 HPGD (0.71) POLBHPGDERN1MEN1ALDH1A1
SCHEMBL17689127 0.83 HPGD (0.73) POLBHPGDTSHRALDH1A1KMT2A
SCHEMBL18397573 0.82 HPGD (0.74) POLBHPGDERN1MEN1ALDH1A1
SCHEMBL28504587 0.82 HPGD (0.72) POLBHPGDERN1TSHRMEN1

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-114615969-B New method 帝斯曼知识产权资产管理有限公司 2024-01-23 CN claimed
EP-4054575-A1 NOVEL METHOD DSM IP Assets B.V. (NL) 2022-09-14 EP claimed
CN-114615969-A Novel process 帝斯曼知识产权资产管理有限公司 2022-06-10 CN claimed