Phenol

Phenol

SCHEMBL7940981

C=CCNCC=C.Oc1ccccc1.Oc1ccccc1

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
GLA P06280 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.40

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
Phenol SCHEMBL7154789 1.00 CA1 (0.50) CA1CA9CA12CA2GLA
Phenol SCHEMBL28870632 0.86 MEN1 (0.47) TDP1KDM4EALDH1A1GAANPC1
Benzene SCHEMBL7263590 0.80 ADRB2 (0.38) KDM4EPOLBALDH1A1HPGDLMNA
SCHEMBL2521368 0.78 KDM4E (0.49) KDM4EPOLBALDH1A1HPGDLMNA
Phenol SCHEMBL11597390 0.78 CA12 (0.58) CA1CA9CA12CA2GLA
Phenol SCHEMBL10569692 0.78 CA12 (0.58) CA1CA9CA12CA2GLA
Naphthalene SCHEMBL10831150 0.78 ALOX12 (0.42) TDP1KDM4EALDH1A1HPGDLMNA
Phenol SCHEMBL8671361 0.78 CA1 (0.41) CA1CA9CA12CA2GLA
Toluene SCHEMBL11513042 0.77 LMNA (0.50) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL8118857 0.77 ADRB2 (0.41) KDM4EPOLBALDH1A1HPGDLMNA

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-6333423-B1 POLYMERIZES LONG CHAIN ALPHA-OLEFIN MONOMERS SUCH AS 1-HEXENE OR 1-OCTENE, FORMING VARIETY OF POLY(ALPHA-OLEFIN) PRODUCTS SUCH AS POLY(1-HEXENE) OR POLY(1-OCTENE), HAVING HIGH MOLECULAR WEIGHT AND LOW MOLECULAR WEIGHT DISTRIBUTION RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. (IL) 2001-12-25 US disclosed