SCHEMBL9856414

SCHEMBL9856414

CC[C@@H](C)Oc1ccc(OCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.53
ALDH1A1 P00352 3/20 0.48
RECQL P46063 1/20 0.48
CYP3A4 P08684 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ACACB O00763 3/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
CYP19A1 P11511 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40

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
SCHEMBL9274036 1.00 NR1I2 (0.53) NR1I2ALDH1A1RECQLCYP3A4SMN1; SMN2
SCHEMBL9269142 0.86 NR1I2 (0.50) NR1I2ALDH1A1RECQLCYP3A4SMN1; SMN2
SCHEMBL13328217 0.85 LTA4H (0.50) CYP3A4
SCHEMBL9271517 0.84 NR1I2 (0.47) NR1I2ALDH1A1RECQLCYP3A4SMN1; SMN2
SCHEMBL13328221 0.84 CYP2D6 (0.56) CYP3A4SMN1; SMN2CYP19A1
SCHEMBL9267575 0.83 NR1I2 (0.55) NR1I2ALDH1A1RECQLCYP3A4SMN1; SMN2
SCHEMBL9267569 0.83 NR1I2 (0.47) NR1I2ALDH1A1RECQLCYP3A4SMN1; SMN2
SCHEMBL9270183 0.82 ALDH1A1 (0.54) NR1I2ALDH1A1RECQLCYP3A4SMN1; SMN2
SCHEMBL11776919 0.82 ALDH1A1 (0.54) NR1I2ALDH1A1RECQLCYP3A4SMN1; SMN2
SCHEMBL122883 0.82 ACACB (0.45) ACACBMAPTKMT2A

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-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed