SCHEMBL8922098

SCHEMBL8922098

Cc1ccc(-c2nc(O)nc(-c3ccc(OCCO)cc3)n2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
NR1I2 O75469 1/20 0.38
DHODH Q02127 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHEK2 O96017 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.36
DHPS P49366 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
FFAR1 O14842 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL29358551 0.90 MAPK1 (0.40) ACACBACACANR1I2NPC1KDM4E
SCHEMBL15322258 0.86 ACACB (0.42) ACACBACACANR1I2DHODHNPC1
SCHEMBL6232474 0.86 MAPK1 (0.42) ACACBACACANR1I2NPC1KDM4E
SCHEMBL30240988 0.86 MAPK1 (0.42) ACACBACACANR1I2NPC1KDM4E
SCHEMBL29387012 0.86 MAPK1 (0.42) ACACBACACANR1I2NPC1KDM4E
SCHEMBL619078 0.86 MAPK1 (0.42) ACACBACACANR1I2NPC1KDM4E
SCHEMBL7893368 0.85 NPC1 (0.43) ACACBACACADHODHNPC1RAB9A
SCHEMBL18012057 0.82 MAPK1 (0.46) ACACBACACANR1I2NPC1RAB9A
SCHEMBL8922091 0.81 ALOX5AP (0.42) NPC1RAB9AKDM4ESMN1; SMN2L3MBTL1
SCHEMBL2678672 0.81 RARB (0.46) ACACBACACANPC1RAB9AALDH1A1

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
US-5679794-A ACTINIC LIGHT RESISTANCE, PROCESSING HEAT RESISTANCE CIBA-GEIGY CORPORATION (US) 1997-10-21 US disclosed