SCHEMBL29986014

SCHEMBL29986014

c1ccc(OCCOC2CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
HPGD P15428 1/20 0.49
PKM P14618 3/20 0.46
NPC1 O15118 1/20 0.46
EPHX2 P34913 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
FOXM1 Q08050 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL8335852 0.98 HPGD (0.51) KCNA3HPGDPKMNPC1EPHX2
Ethylene SCHEMBL27549601 0.96 HPGD (0.47) KCNA3HPGDPKMNPC1EPHX2
SCHEMBL321228 0.87 FOXM1 (0.63) HPGDNPC1RAB9ASMN1; SMN2FOXM1
SCHEMBL320195 0.81 ADRB2 (0.52) HPGDADRB2ADRB1ADRB3
SCHEMBL321332 0.81 HPGD (0.47) HPGDSMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL24415464 0.81 KCNA3 (0.42) KCNA3HPGDPKMNPC1EPHX2
SCHEMBL5514779 0.81 ALDH1A1 (0.47) KCNA3PKMNPC1EPHX2RAB9A
SCHEMBL5521307 0.81 TAAR1 (0.47) KCNA3PKMADRB2ADRB1ADRB3
SCHEMBL5521304 0.81 TAAR1 (0.47) KCNA3PKMADRB2ADRB1ADRB3
SCHEMBL5514782 0.81 ALDH1A1 (0.47) KCNA3PKMNPC1EPHX2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304502-B FOXM1 inhibitor and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-10-18 CN disclosed
CN-115304502-A FOXM1 inhibitor and preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-11-08 CN disclosed