SCHEMBL4340657

SCHEMBL4340657

c1ccc(-c2ccc(-c3ccc(-c4ccccc4)o3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
HPGD P15428 4/20 0.61
NQO2 P16083 3/20 0.59
CYP3A4 P08684 2/20 0.54
CYP2E1 P05181 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 4/20 0.52
CASP1 P29466 3/20 0.52
CYP1A2 P05177 2/20 0.52
CASP7 P55210 2/20 0.52
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL4344550 1.00 ALDH1A1 (0.61) ALDH1A1HPGDNQO2CYP3A4CYP2E1
SCHEMBL76097 0.94 CYP2E1 (0.58) ALDH1A1HPGDNQO2CYP3A4CYP2E1
SCHEMBL14180030 0.88 HPGD (0.55) ALDH1A1HPGDNQO2CYP3A4CYP2E1
SCHEMBL12230556 0.88 ALDH1A1 (0.68) ALDH1A1HPGDNQO2CYP3A4CYP2E1
SCHEMBL12230540 0.86 ALDH1A1 (0.50) ALDH1A1HPGDNQO2CYP3A4CYP2E1
SCHEMBL12230538 0.86 ALDH1A1 (0.50) ALDH1A1HPGDNQO2CYP3A4CYP2E1
SCHEMBL12230522 0.86 ALDH1A1 (0.50) ALDH1A1HPGDNQO2CYP3A4CYP2E1
SCHEMBL12230536 0.86 ALDH1A1 (0.50) ALDH1A1HPGDNQO2CYP3A4CYP2E1
SCHEMBL12230564 0.86 ALDH1A1 (0.50) ALDH1A1HPGDNQO2CYP3A4CYP2E1
SCHEMBL12230558 0.86 ALDH1A1 (0.50) ALDH1A1HPGDNQO2CYP3A4CYP2E1

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
CN-118791448-A Anti-atopic dermatitis active furan compound, preparation and application thereof 中国医学科学院药物研究所 2024-10-18 CN claimed
US-7611818-B2 Photosensitive resin composition, photosensitive element, resist pattern forming method and process for manufacturing printed circuit board HITACHI CHEMICAL COMPANY, LTD. (JP) 2009-11-03 US claimed
CN-118791448-A Anti-atopic dermatitis active furan compound, preparation and application thereof 中国医学科学院药物研究所 2024-10-18 CN disclosed
CN-118184606-A Method for preparing 2, 5-disubstituted and 2,3, 5-trisubstituted furan skeleton derivative 中国医学科学院药物研究所 2024-06-14 CN disclosed
CN-110143935-B Preparation method of 2, 5-disubstituted furan derivative 华侨大学 2022-09-30 CN disclosed
CN-102120735-A Method for preparing substituted furan containing 2,5-di-substituent UNIV TSINGHUA 2011-07-13 CN disclosed
US-7611818-B2 Photosensitive resin composition, photosensitive element, resist pattern forming method and process for manufacturing printed circuit board HITACHI CHEMICAL COMPANY, LTD. (JP) 2009-11-03 US disclosed
US-20070077514-A1 Photosensitive resin composition, photosensitive element, resist pattern forming method and process for manufacturing printed circuit board HITACHI CHEMICAL COMPANY, LTD. (JP) 2007-04-05 US disclosed