SCHEMBL9601338

SCHEMBL9601338

C/N=C/c1ccc(OC)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 2/20 0.57
CYP1A1 P04798 5/20 0.53
CYP1B1 Q16678 4/20 0.53
CYP1A2 P05177 3/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53
TUBB6 Q9BUF5 1/20 0.53
TUBB2B Q9BVA1 1/20 0.53

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
SCHEMBL9601347 1.00 ALDH1A1 (0.59) ALDH1A1TSHRLMNACYP1A1CYP1B1
SCHEMBL16080090 0.86 ALDH1A1 (0.53) ALDH1A1TSHRLMNACYP1A1CYP1B1
SCHEMBL11744336 0.85 MAPT (0.69) ALDH1A1TSHRLMNACYP1A1CYP1B1
SCHEMBL14648755 0.84 TUBB1 (0.46) ALDH1A1TSHRLMNACYP1A2TUBB4A
SCHEMBL22050816 0.84 TUBB1 (0.46) ALDH1A1TSHRLMNACYP1A2TUBB4A
SCHEMBL15986621 0.84 CYP1A2 (0.49) ALDH1A1TSHRLMNACYP1A1CYP1B1
SCHEMBL13521554 0.83 MAPT (0.67) ALDH1A1TSHRLMNACYP1A1CYP1B1
SCHEMBL16864095 0.82 ALDH1A1 (0.62) ALDH1A1LMNACYP1A2MAPTPTGS2
SCHEMBL12045234 0.82 ALDH1A1 (0.62) ALDH1A1LMNACYP1A2MAPTPTGS2
SCHEMBL13128173 0.82 ALDH1A1 (0.57) ALDH1A1TSHRLMNACYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227986-B1 ISOINDOLINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-03-24 EP disclosed
US-4987235-A Isoindoline derivatives and processes for their preparation BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0227986-A1 Isoindoline derivatives and processes for their preparation BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-07-08 EP disclosed
EP-0093610-A2 Substituted urea herbicides UNIROYAL, INC. (US) 1983-11-09 EP disclosed