SCHEMBL5885487

SCHEMBL5885487

CC(C)(c1ccccc1)c1ccc(C(=O)O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
ESR2 Q92731 3/20 0.53
ESR1 P03372 3/20 0.53
CYP3A4 P08684 2/20 0.53
CNR1 P21554 4/20 0.53
CNR2 P34972 4/20 0.53
HNF4A P41235 1/20 0.51
ACMSD Q8TDX5 1/20 0.51
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TSHR P16473 1/20 0.48
PKM P14618 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
HMGB1 P09429 1/20 0.47

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
SCHEMBL5442998 0.86 ESR1 (0.53) ALDH1A1ESR2ESR1CYP3A4CNR1
SCHEMBL8579977 0.86 ALDH1A1 (0.52) ALDH1A1ESR2ESR1CYP3A4CNR1
SCHEMBL7084800 0.85 ESR1 (0.52) ALDH1A1ESR2ESR1CYP3A4CNR1
SCHEMBL11753846 0.85 CNR1 (0.50) ALDH1A1ESR2ESR1CYP3A4CNR1
SCHEMBL9003542 0.84 KDM4E (0.52) ALDH1A1PKMKMT2AKDM4ESMN1; SMN2
SCHEMBL9450712 0.84 ALDH1A1 (0.50) ALDH1A1ESR2ESR1CYP3A4CNR1
SCHEMBL9676222 0.84 NPC1 (0.50) ALDH1A1CYP3A4CA12CA1CA2
SCHEMBL9003629 0.83 KDM4E (0.53) ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL7712882 0.83 ESR1 (0.46) ALDH1A1ESR2ESR1CYP3A4CNR1
SCHEMBL31006764 0.82 ALDH1A1 (0.57) ALDH1A1ESR2CYP3A4HNF4AACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109475482-B Medicine 西姆莱斯股份公司 2022-03-29 CN disclosed
US-6986979-B2 Microcapsule composition EASTMAN KODAK COMPANY (US) 2006-01-17 US disclosed
WO-2005073808-A2 PROCESS OF PRODUCING MICROCAPSULES AND PRODUCT THEREOF EASTMAN KODAK COMPANY (US) 2005-08-11 WO disclosed
WO-2005073805-A2 COMPOSITION COMPRISING MICROCAPSULES EASTMAN KODAK COMPANY (US) 2005-08-11 WO disclosed
US-20050164116-A1 Microcapsule composition EASTMAN KODAK COMPANY 2005-07-28 US disclosed
US-20050161843-A1 Process of producing microcapsules and product thereof EASTMAN KODAK COMPANY 2005-07-28 US disclosed
US-20050084790-A1 Color developer composition and imaging element containing same EASTMAN KODAK COMPANY 2005-04-21 US disclosed
US-6383982-B1 DYE DEVELOPERS FOR COLORING, METAL SALICYLATE AND POLYESTER POLYOLS WITH CARBONATE OR ESTER MITSUI CHEMICALS, INC. (JP) 2002-05-07 US disclosed
EP-1052112-A2 Color developer composition, aqueous dispersion, recording sheet and color developing ink Mitsui Chemicals, Inc. (JP) 2000-11-15 EP disclosed