Sugi Predict

Sugi Predict / Compounds / SCHEMBL180560

SCHEMBL180560

SCHEMBL180560

c1ccc(C(=C2CCCCC2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.57
▸ CHRM1 P11229 2/20 0.57
▸ SETD7 Q8WTS6 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CHRM3 P20309 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ HRH1 P35367 1/20 0.57
▸ HTR2B P41595 1/20 0.57
▸ CHRNA4 P43681 1/20 0.57
▸ HTR3A P46098 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ ESR1 P03372 2/20 0.48
▸ PGR P06401 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ AR P10275 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ PSMB1 P20618 2/20 0.42
▸ PSMB5 P28074 2/20 0.42

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
SCHEMBL3084800 0.88 CHRM2 (0.47) CHRM2CHRM1SETD7LMNACYP2D6
SCHEMBL1774131 0.87 SETD7 (0.64) CHRM2CHRM1SETD7LMNACYP2D6
SCHEMBL8113190 0.80 CHRM2 (0.49) CHRM2CHRM1SETD7LMNACYP2D6
SCHEMBL10505694 0.79 CHRM2 (0.40) CHRM2CHRM1SETD7LMNACYP2D6
SCHEMBL11700785 0.79 ALDH1A1 (0.50) CHRM2CHRM1SETD7LMNACYP2D6
SCHEMBL3468370 0.78 ESR1 (0.54) CHRM2CHRM1LMNAESR1PGR
SCHEMBL3896286 0.78 ESR1 (0.54) CHRM2CHRM1LMNAESR1PGR
SCHEMBL3073631 0.78 ESR1 (0.56) CHRM2CHRM1LMNAESR1PGR
SCHEMBL3073629 0.78 ESR1 (0.56) CHRM2CHRM1LMNAESR1PGR
SCHEMBL8103928 0.78 PTGS2 (0.54) CHRM2CHRM1SETD7LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114635293-B Preparation method of polymer waterproof coiled material convenient for construction 湖北九阳防水材料科技有限公司 2022-11-01 — — CN claimed
CN-114635293-A Preparation method of polymer waterproof coiled material convenient for construction 湖北九阳防水材料科技有限公司 2022-06-17 — — CN claimed
CN-102438590-B Topical foam composition STIEFEL RES AUSTRALIA PTY LTD 2013-07-10 — — CN claimed
CN-102438590-A Topical foam compositions STIEFEL RES AUSTRALIA PTY LTD 2012-05-02 — — CN claimed
CN-114635293-B Preparation method of polymer waterproof coiled material convenient for construction 湖北九阳防水材料科技有限公司 2022-11-01 — — CN disclosed
CN-114635293-A Preparation method of polymer waterproof coiled material convenient for construction 湖北九阳防水材料科技有限公司 2022-06-17 — — CN disclosed
US-20200352892-A1 TOPICAL FOAM COMPOSITION MAYNE PHARMA LLC (US) 2020-11-12 — — US disclosed
US-10688071-B2 Topical foam composition MAYNE PHARMA LLC (US) 2020-06-23 — — US disclosed
US-10568859-B2 Topical foam composition MAYNE PHARMA LLC (US) 2020-02-25 — — US disclosed
US-8808716-B2 Topical foam composition STIEFEL RESEARCH AUSTRALIA PTY LTD (AU) 2014-08-19 — — US disclosed
CN-102438590-B Topical foam composition STIEFEL RES AUSTRALIA PTY LTD 2013-07-10 — — CN disclosed
US-20130011452-A1 TOPICAL FOAM COMPOSITION MAYNE PHARMA LLC 2013-01-10 — — US disclosed
US-20130005774-A1 TOPICAL FOAM COMPOSITION MAYNE PHARMA LLC 2013-01-03 — — US disclosed
CN-102438590-A Topical foam compositions STIEFEL RES AUSTRALIA PTY LTD 2012-05-02 — — CN disclosed
EP-2400951-A1 TOPICAL FOAM COMPOSITION Stiefel Research Australia Pty Ltd (AU) 2012-01-04 — — EP disclosed
WO-2010096868-A1 TOPICAL FOAM COMPOSITION STIEFEL RESEARCH AUSTRALIA PTY LTD (AU) 2010-09-02 — — WO disclosed
US-20100221194-A1 TOPICAL FOAM COMPOSITION MAYNE PHARMA LLC 2010-09-02 — — US disclosed