SCHEMBL20144400

SCHEMBL20144400

CCC(C)(CC)Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(C(C)(CC)CC)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
RAB9A P51151 3/20 0.40
CYP2C9 P11712 2/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
ELANE P08246 4/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
FABP2 P12104 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
SRD5A2 P31213 3/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 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
SCHEMBL20144377 1.00 ACACB (0.41) ACACBACACARAB9ACYP2C9NPC1
SCHEMBL20144414 1.00 ACACB (0.41) ACACBACACARAB9ACYP2C9NPC1
SCHEMBL20144384 0.96 RAB9A (0.42) RAB9ACYP2C9NPC1POLBELANE
SCHEMBL12943146 0.96 RAB9A (0.42) RAB9ACYP2C9NPC1POLBELANE
SCHEMBL22304593 0.96 RAB9A (0.42) RAB9ACYP2C9NPC1POLBELANE
SCHEMBL13374819 0.92 RAB9A (0.40) RAB9ACYP2C9NPC1POLBELANE
SCHEMBL22304500 0.92 ELANE (0.45) CYP2C9ELANEPPARGPPARAFABP2
SCHEMBL13918738 0.91 ACACB (0.35) ACACBACACARAB9ACYP2C9NPC1
SCHEMBL13181484 0.89 NPC1 (0.44) ACACBACACARAB9ACYP2C9NPC1
SCHEMBL13918669 0.88 ACACB (0.34) ACACBACACARAB9ACYP2C9NPC1

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
EP-2449014-B1 BOROPHOSPHATE, BORATE PHOSPHATE, AND METAL BOROPHOSPHATE AS NOVEL FLAME PROOFING ADDITIVES FOR PLASTICS BASF SE (DE) 2018-05-16 EP disclosed