SCHEMBL11657804

SCHEMBL11657804

COc1ccc(-c2cc3ccccc3[nH]2)cc1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
NPC1 O15118 5/20 0.58
KDM4E B2RXH2 4/20 0.58
MAPT P10636 4/20 0.58
CASP3 P42574 2/20 0.58
SENP8 Q96LD8 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
SENP6 Q9GZR1 2/20 0.58
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CHEK1 O14757 1/20 0.44
FGFR1 P11362 1/20 0.44
CDK4 P11802 1/20 0.44

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
SCHEMBL30770801 0.84 RAB9A (0.67) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL10796083 0.84 RAB9A (0.67) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL11653277 0.82 RAB9A (0.57) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL11659391 0.81 KDM4E (0.63) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL11652913 0.80 KDM4E (0.61) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL11117167 0.80 RAB9A (0.61) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL11659902 0.80 KDM4E (0.55) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL6503284 0.80 RAB9A (0.61) RAB9ANPC1KDM4EMAPTCASP3
SCHEMBL11654006 0.80 MAPT (0.57) RAB9ANPC1KDM4EMAPTCASP3
Hydrochloric Acid SCHEMBL6502726 0.79 RAB9A (0.60) RAB9ANPC1KDM4EMAPTCASP3

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-4096112-A POLYVINYL CHLORIDE LABAZ (FR) 1978-06-20 US disclosed
US-4024155-A 2-(3'-Methoxy-4'-hydroxy-phenol)-indole LABAZ (FR) 1977-05-17 US disclosed