SCHEMBL9384271

SCHEMBL9384271

OCC=CCC1=CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
ALOX15 P16050 3/20 0.39
TAAR1 Q96RJ0 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
PKM P14618 1/20 0.35
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
HPGD P15428 2/20 0.33
CXCR3 P49682 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL11657679 1.00 ALDH1A1 (0.39) ALDH1A1ALOX15TAAR1SMN1; SMN2PKM
SCHEMBL1173377 0.94 ALOX15 (0.33) ALDH1A1ALOX15TAAR1SMN1; SMN2
SCHEMBL11267036 0.78 ALDH1A1 (0.40) ALDH1A1ALOX15TAAR1SMN1; SMN2PKM
SCHEMBL6590315 0.78 SMN1; SMN2 (0.37) ALDH1A1ALOX15TAAR1SMN1; SMN2PKM
SCHEMBL27633323 0.76 CXCR3 (0.40) ALDH1A1ALOX15TAAR1SMN1; SMN2PKM
SCHEMBL11839111 0.76 CXCR3 (0.40) ALDH1A1ALOX15TAAR1SMN1; SMN2PKM
SCHEMBL26597352 0.76 TAAR1 (0.55) ALDH1A1TAAR1SMN1; SMN2NPC1RAB9A
SCHEMBL4018505 0.75
SCHEMBL21001330 0.74 ALDH1A1 (0.38) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL30950276 0.74 SMN1; SMN2 (0.35) ALDH1A1ALOX15TAAR1SMN1; SMN2PKM

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990003113-A1 ATTRACTANCE FOR DACUS LATIFRONS, THE MALAYSIAN FRUIT FLY THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1990-04-05 WO claimed
US-4877607-A CYCLOHEXYL AND CYCLOHEXENYL ALIPHATIC ALCOHOLS AND KETONES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1989-10-31 US claimed
CN-114787283-B Composition for fiber-reinforced resin, and method for producing fiber-reinforced resin 荒川化学工业株式会社 2024-02-27 CN disclosed
CN-115125734-A Water-dispersible composition for fiber processing 荒川化学工业株式会社 2022-09-30 CN disclosed
CN-114787283-A Composition for fiber-reinforced resin, molded article, method for using composition for fiber-reinforced resin, method for reinforcing fiber-reinforced resin, and method for producing fiber-reinforced resin 荒川化学工业株式会社 2022-07-22 CN disclosed
EP-0395662-B1 ALKYLTETRAMETHYLCYCLOHEXANE DERIVATIVES AND THEIR USE AS PERFUMES GIVAUDAN ROURE INT (CH) 1994-04-27 EP disclosed
EP-0395662-A4 ALKYLTETRAMETHYLCYCLOHEXANE DERIVATIVES AND THEIR USE AS PERFUMES 1991-03-20 EP disclosed
EP-0395662-A1 ALKYLTETRAMETHYLCYCLOHEXANE DERIVATIVES AND THEIR USE AS PERFUMES. BASF K & F CORP (US) 1990-11-07 EP disclosed
US-4956342-A KETONES, ALDEHYDES OR ALCOHOL DERIVATIVES OF MULTIMETHYL CYCLOHANES BASF K & F CORP. (US) 1990-09-11 US disclosed
US-4868339-A HYDROXY OR KETONE COMPOUNDS, SATURATED OR ONE OR TWO DOUBLE BONDS BASF K & F CORPORATION (US) 1989-09-19 US disclosed
WO-1989002885-A1 ALKYLTETRAMETHYLCYCLOHEXANE DERIVATIVES AND THEIR USE AS PERFUMES BASF K & F CORP. (US) 1989-04-06 WO disclosed
US-4105697-A Process for the preparation of α, β-ethylenic aldehydes RHONE-POULENC INDUSTRIES (FR) 1978-08-08 US disclosed