Isopropyl Alcohol

SCHEMBL8624043

CC(C)O.CC(C)O.CC1=C(c2ccccc2)CC([Hf]2(C3=CC(C)=C(c4ccccc4)C3)CC2)=C1

nearest known ligand 0.35

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CFTR	P13569	1/20	0.35

▸	GOPC	Q9HD26	1/20	0.35

▸	PTGS1	P23219	1/20	0.31

▸	PTGS2	P35354	1/20	0.31

▸	COMT	P21964	1/20	0.30

▸	ALDH1A1	P00352	1/20	0.30

▸	GLA	P06280	1/20	0.30

▸	POLB	P06746	1/20	0.30

▸	RAB9A	P51151	1/20	0.30

▸	KMT2A	Q03164	1/20	0.30

▸	SMN1; SMN2	Q16637	1/20	0.30

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.

Compound	similarity	top predicted	shared targets
Isopropyl Alcohol SCHEMBL8625886	0.72	CFTR (0.35)	CFTRGOPC
Isopropyl Alcohol SCHEMBL8624815	0.71	CFTR (0.34)	CFTRGOPC
Isopropyl Alcohol SCHEMBL8623777	0.70	—	—
Biphenyl SCHEMBL27543809	0.64	ALDH1A1 (0.60)	PTGS2ALDH1A1SMN1; SMN2
Biphenyl SCHEMBL8391913	0.64	ALDH1A1 (0.60)	PTGS2ALDH1A1SMN1; SMN2
Biphenyl SCHEMBL23270851	0.59	ALDH1A1 (0.60)	PTGS2ALDH1A1SMN1; SMN2
Toluene SCHEMBL27917897	0.57	LMNA (0.69)	ALDH1A1GLARAB9AKMT2A
Toluene SCHEMBL28086966	0.57	LMNA (0.69)	ALDH1A1GLARAB9AKMT2A
Toluene SCHEMBL50431	0.57	LMNA (0.69)	ALDH1A1GLARAB9AKMT2A
SCHEMBL868869	0.57	CFTR (0.68)	CFTRGOPCPTGS1PTGS2ALDH1A1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0848015-A1	Catalyst for the production of functionalized polymers	HOECHST AKTIENGESELLSCHAFT (DE)	1998-06-17	—	—	EP	disclosed