SCHEMBL7974197

SCHEMBL7974197

CCC(Oc1cccc2c1CCCC2=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.51
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
HTR1A P08908 1/20 0.48
TSHR P16473 1/20 0.48
SLC6A4 P31645 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
PPARA Q07869 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 4/20 0.43
ABCB1 P08183 2/20 0.40
LTB4R Q15722 4/20 0.40
LTB4R2 Q9NPC1 3/20 0.40
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
BRD4 O60885 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL7972678 0.92 ALDH1A1 (0.45) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL7972959 0.82 MRGPRX4 (0.49) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL7972957 0.80 ADRB2 (0.57) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL7962763 0.78 LMNA (0.42) PPARASMN1; SMN2PPARGLTB4RALDH1A1
SCHEMBL15283161 0.78 TSHR (0.50) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL7974235 0.78 SMN1; SMN2 (0.43) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL7972637 0.78 LTB4R (0.43) PPARASMN1; SMN2PPARGLTB4RLTB4R2
SCHEMBL5353949 0.76 ADRB2 (0.47) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL7976476 0.76 PPARA (0.42) TSHRPPARASMN1; SMN2PPARGABCB1
SCHEMBL5270656 0.75 MRGPRX4 (0.56) MRGPRX4ADRB2ADRB1ADRB3HTR1A

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-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed