SCHEMBL12003261

SCHEMBL12003261

C/C(=C\CCc1ccccc1C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 1/20 0.42
PPARG P37231 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
GPR84 Q9NQS5 1/20 0.40
HTT P42858 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
GPR52 Q9Y2T5 3/20 0.38
TBXAS1 P24557 1/20 0.38

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
SCHEMBL678767 1.00 CTBP2 (0.45) CTBP2TAAR1GAAKMT2AAKR1C3
SCHEMBL1137147 0.83 AKR1B1 (0.47) TAAR1AKR1C3GPR52TBXAS1
SCHEMBL1060627 0.83 AKR1B1 (0.47) TAAR1AKR1C3GPR52TBXAS1
SCHEMBL19656187 0.83 GPR52 (0.55) TAAR1KMT2AAKR1C3ALDH1A1GPR52
SCHEMBL11395760 0.83 CTBP2 (0.47) CTBP2GAAKMT2AAKR1C3PPARG
SCHEMBL5489366 0.83 CTBP2 (0.47) CTBP2GAAKMT2AAKR1C3PPARG
SCHEMBL1920921 0.82 CTBP2 (0.44) CTBP2TAAR1AKR1C3MAOB
SCHEMBL440569 0.82 CTBP2 (0.44) CTBP2TAAR1AKR1C3MAOB
SCHEMBL3681656 0.80 TDP1 (0.50) KMT2AKDM4E
SCHEMBL1624072 0.80 MTNR1A (0.54) TAAR1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121802-B1 HIGH REFRACTIVE INDEX SILOXANE INSERT MATERIALS FOR EMBEDDED CONTACT LENSES ALCON INC (CH) 2024-07-17 EP claimed
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP claimed
EP-2268709-B1 SCRATCH RESISTANT THERMOPLASTIC RESIN COMPOSITION CHEIL IND INC (KR) 2013-10-02 EP claimed
EP-2204412-B1 Polycarbonate resin composition with improved scratch resistance and melt flow index CHEIL IND INC (KR) 2012-08-29 EP claimed
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP disclosed
EP-3728339-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS Merck Patent GmbH (DE) 2020-10-28 EP disclosed
EP-3502147-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS Merck Patent GmbH (DE) 2019-06-26 EP disclosed