SCHEMBL9622692

SCHEMBL9622692

Cc1ccc2cc(C(=O)c3ccc(C4CCCCC4)cc3)ccc2c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.44
DHODH Q02127 2/20 0.44
HAO1 Q9UJM8 1/20 0.40
KMO O15229 1/20 0.40
ACMSD Q8TDX5 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
SERPINE1 P05121 1/20 0.38
SRD5A2 P31213 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL8462097 0.81 KMO (0.56) S1PR1DHODHHAO1KMOACMSD
SCHEMBL10544523 0.79 RARG (0.46) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL8707349 0.78 ALDH1A1 (0.45) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL10543973 0.77 ALDH1A1 (0.48) KMT2AHTTSMN1; SMN2L3MBTL1MEN1
SCHEMBL9622132 0.76 KDM4E (0.51) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL9622665 0.76 SRD5A2 (0.54) DHODHKMT2AHTTSMN1; SMN2TDP1
SCHEMBL11591905 0.76 PTPN1 (0.50) KMT2AKDM4EGLASMN1; SMN2TDP1
SCHEMBL9622083 0.74 SRD5A2 (0.54) DHODHKMT2ASRD5A2MEN1ALDH1A1
SCHEMBL15100713 0.74 HDAC1 (0.46) HAO1KMT2AHTTSMN1; SMN2HDAC8
SCHEMBL341579 0.74 HDAC8 (0.63) HAO1KMOACMSDKMT2AKDM4E

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
US-5023363-A Antiinflammatory agent, antiallergens, skin disorders, vision defects L'OREAL (FR) 1991-06-11 US claimed
US-5093516-A AROMATIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN AND VETERINARY MEDICINE AND FOR COSMETIC COMPOSITIONS L'OREAL (FR) 1992-03-03 US disclosed
US-5023363-A Antiinflammatory agent, antiallergens, skin disorders, vision defects L'OREAL (FR) 1991-06-11 US disclosed