SCHEMBL7174134

SCHEMBL7174134

C=C(CC1=CCCCC1)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL2127670 0.81 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL472083 0.80 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1628965 0.80 ALDH1A1 (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7994480 0.80 ALDH1A1 (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1691608 0.74 ALDH1A1 (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL4908231 0.74 GSTP1 (0.31)
SCHEMBL722436 0.73 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL4635955 0.73 ALDH1A1 (0.40) ALDH1A1RAB9ASMN1; SMN2NPC1HTT
SCHEMBL4290928 0.73 ALDH1A1 (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10699727 0.73 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6572783-B1 Thermoset resins to provide oxygen protection packaging for electronics or food CHEVRON PHILLIPS CHEMICAL COMPANY LP 2003-06-03 US claimed
WO-2020138052-A1 HIGH-PURITY 3,4-EPOXYCYCLOHEXYLMETHYL METHACRYLATE 株式会社ダイセル 2020-07-02 WO disclosed
US-6572783-B1 Thermoset resins to provide oxygen protection packaging for electronics or food CHEVRON PHILLIPS CHEMICAL COMPANY LP 2003-06-03 US disclosed