SCHEMBL7698052

SCHEMBL7698052

CC(C)(C)CC(C)(C)c1ccc(O)c(-c2cc(C(C)(C)CC(C)(C)C)cc(/N=N/c3ccccc3[N+](=O)[O-])c2O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
PTPN1 P18031 2/20 0.38
PTPN6 P29350 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
CCNT1 O60563 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35

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
SCHEMBL7575141 1.00 PTPN11 (0.40) PTPN11NPC1RAB9ACYP3A4CYP2D6
SCHEMBL7702554 0.94 NPC1 (0.41) PTPN11NPC1RAB9APTPN1PTPN6
SCHEMBL7702561 0.94 NPC1 (0.41) PTPN11NPC1RAB9APTPN1PTPN6
SCHEMBL6867724 0.88 NPC1 (0.45) PTPN11NPC1RAB9ACYP3A4CYP2D6
SCHEMBL29637247 0.88 NPC1 (0.45) PTPN11NPC1RAB9ACYP3A4CYP2D6
SCHEMBL6867726 0.88 NPC1 (0.45) PTPN11NPC1RAB9ACYP3A4CYP2D6
SCHEMBL7698053 0.86 CNR1 (0.42) PTPN11NPC1RAB9A
SCHEMBL9177994 0.84 NPC1 (0.41) PTPN11NPC1RAB9APTPN1PTPN6
SCHEMBL9177988 0.84 NPC1 (0.41) PTPN11NPC1RAB9APTPN1PTPN6
SCHEMBL5186121 0.83 PTPN11 (0.41) PTPN11NPC1RAB9ACYP2D6HIF1A

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-6344505-B1 Mono- and bis-benzotriazolyldihydroxybiaryl UV absorbers CYTEC INDUSTRIES INC. 2002-02-05 US disclosed