SCHEMBL11664604

SCHEMBL11664604

O=C(SCc1ccccc1Cl)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
IDO1 P14902 2/20 0.53
HTT P42858 2/20 0.53
TAAR1 Q96RJ0 2/20 0.53
GFER P55789 2/20 0.49
HPGD P15428 2/20 0.48
POLB P06746 2/20 0.48
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 1/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 2/20 0.42
SIGMAR1 Q99720 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
SCHEMBL11657752 0.82 IDO1 (0.56) IDO1HTTPOLBCYP3A4CYP2C19
SCHEMBL11350994 0.79 HPGD (0.54) HTTHPGDPOLBCYP2C19KMT2A
SCHEMBL27592486 0.77 LMNA (0.68) SMN1; SMN2LMNAIDO1HTTTAAR1
SCHEMBL11657906 0.74 IDO1 (0.50) SMN1; SMN2LMNAIDO1HPGDPOLB
SCHEMBL11656567 0.73 IDO1 (0.53) SMN1; SMN2LMNAIDO1TAAR1KMT2A
SCHEMBL3761179 0.73 CTBP2 (0.50) LMNAHTTHPGDCYP3A4CYP2C19
SCHEMBL12835100 0.71 TAAR1 (0.59) SMN1; SMN2LMNAIDO1HTTTAAR1
SCHEMBL29034446 0.71 HTT (0.59) SMN1; SMN2LMNAIDO1HTTTAAR1
SCHEMBL29620133 0.70 SMN1; SMN2 (0.50) SMN1; SMN2LMNAIDO1HTTTAAR1
SCHEMBL66777 0.70 SMN1; SMN2 (0.50) SMN1; SMN2LMNAIDO1HTTTAAR1

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
US-4112116-A Certain cyclopropane thiolcarboxylates and use thereof as miticides STAUFFER CHEMICAL COMPANY (US) 1978-09-05 US claimed
US-4112116-A Certain cyclopropane thiolcarboxylates and use thereof as miticides STAUFFER CHEMICAL COMPANY (US) 1978-09-05 US disclosed