SCHEMBL30745238

SCHEMBL30745238

CCCCCOc1ccc(-c2ccc(-c3ccc(OCCCC)cc3OCCCCCCCCCCCCN)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 4/20 0.49
▸ RARB P10826 3/20 0.48
▸ NR5A1 Q13285 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ HTR1B P28222 6/20 0.43
▸ HTR1A P08908 5/20 0.43
▸ HTR1D P28221 5/20 0.43
▸ HTR2A P28223 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43

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
SCHEMBL20928536 1.00 PTPN11 (0.49) PTPN11RARBNR5A1TSHRCYP3A4
SCHEMBL30504180 1.00 PTPN11 (0.49) PTPN11RARBNR5A1TSHRCYP3A4
SCHEMBL20928532 1.00 PTPN11 (0.49) PTPN11RARBNR5A1TSHRCYP3A4
SCHEMBL25853064 0.99 PTPN11 (0.47) PTPN11RARBNR5A1TSHRCYP3A4
SCHEMBL20928533 0.96 PTPN11 (0.47) PTPN11RARBNR5A1TSHRCYP3A4
SCHEMBL30504182 0.96 PTPN11 (0.47) PTPN11RARBNR5A1TSHRCYP3A4
SCHEMBL20928525 0.94 SYK (0.45) PTPN11RARBNR5A1CYP3A4CYP2D6
SCHEMBL30504175 0.94 SYK (0.45) PTPN11RARBNR5A1CYP3A4CYP2D6
SCHEMBL20928526 0.94 SYK (0.45) PTPN11RARBNR5A1CYP3A4CYP2D6
SCHEMBL30504178 0.94 SYK (0.45) PTPN11RARBNR5A1CYP3A4CYP2D6

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-11891558-B2 Solid foam comprising mesogenic ligand-functionalized nanoparticles and methods of making and using the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-02-06 — — US disclosed
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