SCHEMBL7028595

SCHEMBL7028595

Cc1c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(C)c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(C)c1Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
HTR1B P28222 4/20 0.38
POLB P06746 2/20 0.38
HTR1A P08908 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
CHRM3 P20309 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL10727917 0.86 GABRA1 (0.54) HTR1DGABRA1GABRB2HTR1BPOLB
SCHEMBL21553551 0.86 HIF1A (0.46) GABRA1GABRB2POLBTP53TSHR
SCHEMBL20472890 0.83 GABRA1 (0.50) HTR1DGABRA1GABRB2HTR1BPOLB
SCHEMBL28433211 0.80 GABRA1 (0.48) HTR1DGABRA1GABRB2HTR1BPOLB
SCHEMBL29222655 0.80 GABRA1 (0.48) HTR1DGABRA1GABRB2HTR1BPOLB
SCHEMBL28264683 0.76 TACR1 (0.46) HTR1DGABRA1GABRB2HTR1BPOLB
SCHEMBL20582344 0.75 GABRA1 (0.45) HTR1DGABRA1GABRB2HTR1BTP53
SCHEMBL49284 0.72 ALDH1A1 (0.54) POLBTP53TSHRLMNACYP2D6
SCHEMBL8213794 0.72 GABRA1 (0.50) HTR1DGABRA1GABRB2HTR1BPOLB
SCHEMBL1655430 0.72 GABRA1 (0.55) HTR1DGABRA1GABRB2HTR1BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649874-B1 Nucleation of crystallization in polyesters M & G POLIMERI ITALIA SPA (IT) 2003-01-22 EP disclosed
US-5641549-A DUAL OVENABLE FOOD TRAYS SHELL OIL COMPANY (US) 1997-06-24 US disclosed
US-5431972-A Polytetrafluoroethylene, linear low density polyethylene, stabilizer SHELL OIL COMPANY (US) 1995-07-11 US disclosed
EP-0649874-A2 Nucleation of crystallization in polyesters SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-04-26 EP disclosed
EP-0044874-B1 STABLE ANTI-FOULING PAINT COMPOSITION Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1983-08-03 EP disclosed
US-4376181-A TRIORGANO-TIN POLYMER, CUPROUS OXIDE, HINDERED PHENOL YOSHITOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1983-03-08 US disclosed
EP-0044874-A1 STABLE ANTI-FOULING PAINT COMPOSITION Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1982-02-03 EP disclosed
US-4221700-A POLY(ALKYLATED ALKENYLPHENOL); POLYESTERS OF ALKYLTHIOALKANOIC ACIDS OR ORGANIC PHOSPHITE MARUZEN OIL CO., LTD. (JP) 1980-09-09 US disclosed