SCHEMBL10902152

SCHEMBL10902152

C=Cc1c(O)cccc1CC(C)C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.55
GABRB2 P47870 4/20 0.55
ELANE P08246 1/20 0.40
CTSG P08311 1/20 0.40
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HSPA5 P11021 1/20 0.33
HTR2A P28223 1/20 0.33
IAPP P10997 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
SCHEMBL14742617 0.82 GABRA1 (0.55) GABRA1GABRB2ELANECTSGTSHR
SCHEMBL11771453 0.81 GABRA1 (0.52) GABRA1GABRB2HSPA5IAPP
SCHEMBL108067 0.78 GABRA1 (0.64) GABRA1GABRB2ELANECTSGTSHR
SCHEMBL10770637 0.78 IAPP (0.41) GABRA1GABRB2ELANECTSGIAPP
Formaldehyde SCHEMBL14742618 0.77 GABRA1 (0.57) GABRA1GABRB2ELANECTSGTSHR
SCHEMBL16955584 0.77 PDXK (0.41) GABRA1GABRB2TSHRCDK2HSPA5
SCHEMBL27513033 0.77 GABRA1 (0.61) GABRA1GABRB2ELANECTSGTSHR
SCHEMBL8163478 0.76 GABRA1 (0.55) GABRA1GABRB2POLBMAPK1HSPA5
SCHEMBL4551394 0.76 ALDH1A1 (0.47) TSHRPOLBCDK2
SCHEMBL10899090 0.75 BID (0.47) ELANECTSGIAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4600683-A Cross-linked polyalkenyl phenol based photoresist compositions INTERNATIONAL BUSINESS MACHINES CORP. (US) 1986-07-15 US disclosed