SCHEMBL6913032

SCHEMBL6913032

C=Cc1ccc(CCOCC2CO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MGLL Q99685 4/20 0.35
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL1269546 0.86 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL239227 0.84 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2TDP1MGLL
SCHEMBL1357662 0.81 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
Styrene SCHEMBL28699410 0.81 TDP1 (0.47) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL2402230 0.79 ALDH1A1 (0.50) ALDH1A1TSHRTDP1
SCHEMBL28738758 0.78 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ATDP1MGLL
SCHEMBL7519513 0.78 MEN1 (0.58) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL1140784 0.78 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL2549889 0.78 MEN1 (0.58) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL27926923 0.78 MEN1 (0.58) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117899873-A Transition metal catalyst and preparation method and application thereof 厦门大学 2024-04-19 CN disclosed
EP-0771848-B1 THERMOPLASTIC RESIN COMPOSITION AND PROCESS FOR PRODUCTION THEREOF POLYPLASTICS CO (JP) 2004-02-18 EP disclosed
US-5973081-A USING AN EPOXY, CARBOXYL OR ACID ANHYDRIDE MODIFIER POLYPLASTICS CO., LTD. (JP) 1999-10-26 US disclosed
US-5852135-A Thermoplastic resin compositions and a method of producing the same POLYPLASTICS CO., LTD. (JP) 1998-12-22 US disclosed
EP-0771848-A1 THERMOPLASTIC RESIN COMPOSITION AND PROCESS FOR PRODUCTION THEREOF POLYPLASTICS CO. LTD. (JP) 1997-05-07 EP disclosed
EP-0737698-A1 MODIFIED POLYACETAL AND PROCESS FOR PRODUCTION POLYPLASTICS CO. LTD. (JP) 1996-10-16 EP disclosed