SCHEMBL5007804

SCHEMBL5007804

CC(CCc1ccccc1)C(=O)O.O=C(O)C(CCc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.45
ACP3 P15309 1/20 0.45
APAF1 O14727 1/20 0.45
KDM4A O75164 1/20 0.44
LTB4R Q15722 3/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL396914 0.90 ACP3 (0.53) TSHRPOLBACP3KDM4ACYP2C19
SCHEMBL5264742 0.90 ACP3 (0.53) TSHRPOLBACP3KDM4ACYP2C19
SCHEMBL12670558 0.88 TSHR (0.68) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL264775 0.88 TSHR (0.68) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL1073143 0.88 TSHR (0.68) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL473576 0.88 TSHR (0.68) TSHRSMN1; SMN2MEN1HTTKMT2A
Phosphine SCHEMBL27480220 0.86 TSHR (0.66) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL31438935 0.84 TSHR (0.47) TSHRPOLBSMN1; SMN2MEN1HTT
SCHEMBL29453509 0.81 ACP3 (0.46) TSHRPOLBSMN1; SMN2MEN1HTT
SCHEMBL10869186 0.80 GRIK1 (0.53) POLBSMN1; SMN2ACP3KDM4ACYP2C19

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
EP-1922398-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-21 EP disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed